CID 20762175

2-chloro-n-methyl-5-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C8H7ClF3N
SMILES
CNC1=C(C=CC(=C1)C(F)(F)F)Cl
InChI
InChI=1S/C8H7ClF3N/c1-13-7-4-5(8(10,11)12)2-3-6(7)9/h2-4,13H,1H3
InChIKey
GMRMCAZGUCHFFZ-UHFFFAOYSA-N
Compound name
2-chloro-N-methyl-5-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

209.02191 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.02919 136.7
[M+Na]+ 232.01113 147.0
[M-H]- 208.01463 136.9
[M+NH4]+ 227.05573 156.6
[M+K]+ 247.98507 142.3
[M+H-H2O]+ 192.01917 129.8
[M+HCOO]- 254.02011 153.3
[M+CH3COO]- 268.03576 187.2
[M+Na-2H]- 229.99658 142.7
[M]+ 209.02136 134.1
[M]- 209.02246 134.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe